2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C21H23N5O2 — CID 34464122

IUPAC2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-25(15-18-13-24-26(16-18)19-10-6-3-7-11-19)20(27)14-23-21(28)22-12-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3,(H2,22,23,28)
InChIKeyIYMZTUKDABYDFK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.33
Rot. Bonds7

About 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 34464122) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID34464122
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-25(15-18-13-24-26(16-18)19-10-6-3-7-11-19)20(27)14-23-21(28)22-12-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3,(H2,22,23,28)
InChIKeyIYMZTUKDABYDFK-UHFFFAOYSA-N
XLogP2.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-(2,6-dimethylphenyl)-N-(1h-pyrazol-1-ylmethyl)oxalamide
CID 146170629
5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2232587
2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
CID 118723778
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
1-Cycloheptyl-1-[(4-pyrazol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10765097
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455380
(E)-N-(2-aminophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
CID 60198484
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 34464122) is 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is IYMZTUKDABYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25(15-18-13-24-26(16-18)19-10-6-3-7-11-19)20(27)14-23-21(28)22-12-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3,(H2,22,23,28).
What are the key properties of 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 34464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).